4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyridine-3-carbonitrile

C26H25N5O — CID 45487611

IUPAC4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyridine-3-carbonitrile
SMILESCc1c(Nc2c(C#N)cncc2-c2ccc(CN3CCOCC3)cc2)ccc2[nH]ccc12
InChIInChI=1S/C26H25N5O/c1-18-22-8-9-29-25(22)7-6-24(18)30-26-21(14-27)15-28-16-23(26)20-4-2-19(3-5-20)17-31-10-12-32-13-11-31/h2-9,15-16,29H,10-13,17H2,1H3,(H,28,30)
InChIKeyPJGVITFBPVCDNT-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.99
Rot. Bonds5

About 4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyridine-3-carbonitrile

4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyridine-3-carbonitrile (PubChem CID 45487611) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is 4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyridine-3-carbonitrile
PubChem CID45487611
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC Name4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyridine-3-carbonitrile
SMILESCc1c(Nc2c(C#N)cncc2-c2ccc(CN3CCOCC3)cc2)ccc2[nH]ccc12
InChIInChI=1S/C26H25N5O/c1-18-22-8-9-29-25(22)7-6-24(18)30-26-21(14-27)15-28-16-23(26)20-4-2-19(3-5-20)17-31-10-12-32-13-11-31/h2-9,15-16,29H,10-13,17H2,1H3,(H,28,30)
InChIKeyPJGVITFBPVCDNT-UHFFFAOYSA-N
XLogP4.99
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyridine-3-carbonitrile (CID 45487611) is 4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyridine-3-carbonitrile is Cc1c(Nc2c(C#N)cncc2-c2ccc(CN3CCOCC3)cc2)ccc2[nH]ccc12.
What is the InChIKey of 4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyridine-3-carbonitrile?
The InChIKey is PJGVITFBPVCDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c1-18-22-8-9-29-25(22)7-6-24(18)30-26-21(14-27)15-28-16-23(26)20-4-2-19(3-5-20)17-31-10-12-32-13-11-31/h2-9,15-16,29H,10-13,17H2,1H3,(H,28,30).
What are the key properties of 4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyridine-3-carbonitrile?
4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyridine-3-carbonitrile has a molecular weight of 423.52 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 45487611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).